4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 8018-0481 |
| Compound Name: | 4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C20 H26 N2 O5 |
| Smiles: | CCCCC(CC)CN1C(C(=C(C1=O)O)C(C)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2022 |
| logD: | 4.2004 |
| logSw: | -4.1779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.539 |
| InChI Key: | VRPWAJRKALCHQX-UHFFFAOYSA-N |